CID 11770186

83548-46-3

Structural Information

Molecular Formula
C11H17NO4
SMILES
CC(C)(C)OC(=O)N1C=CC[C@H]1C(=O)OC
InChI
InChI=1S/C11H17NO4/c1-11(2,3)16-10(14)12-7-5-6-8(12)9(13)15-4/h5,7-8H,6H2,1-4H3/t8-/m0/s1
InChIKey
WGCPPYJWSDCBNC-QMMMGPOBSA-N
Compound name
1-O-tert-butyl 2-O-methyl (2S)-2,3-dihydropyrrole-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

227.11575 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12303 151.3
[M+Na]+ 250.10497 159.2
[M+NH4]+ 245.14957 156.7
[M+K]+ 266.07891 158.5
[M-H]- 226.10847 149.0
[M+Na-2H]- 248.09042 153.2
[M]+ 227.11520 151.3
[M]- 227.11630 151.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe